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2-[2-(3,4-DIMETHOXYPHENYL)-1-METHANESULFONYL-3-METHYL-4-OXOAZETIDIN-3-YL]-4-NITROISOINDOLE-1,3-DIONE
SpectraBase Compound ID F5M3AieKno3
InChI InChI=1S/C21H19N3O9S/c1-21(22-18(25)12-6-5-7-13(24(28)29)16(12)19(22)26)17(23(20(21)27)34(4,30)31)11-8-9-14(32-2)15(10-11)33-3/h5-10,17H,1-4H3/t17-,21+/m0/s1
InChIKey IFHCVKRQYSMZMQ-LAUBAEHRSA-N
Mol Weight 489.46 g/mol
Molecular Formula C21H19N3O9S
Exact Mass 489.0842 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1WmprvrW1lS
Name 2-[2-(3,4-DIMETHOXYPHENYL)-1-METHANESULFONYL-3-METHYL-4-OXOAZETIDIN-3-YL]-4-NITROISOINDOLE-1,3-DIONE
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H19N3O9S
InChI InChI=1S/C21H19N3O9S/c1-21(22-18(25)12-6-5-7-13(24(28)29)16(12)19(22)26)17(23(20(21)27)34(4,30)31)11-8-9-14(32-2)15(10-11)33-3/h5-10,17H,1-4H3/t17-,21+/m0/s1
InChIKey IFHCVKRQYSMZMQ-LAUBAEHRSA-N
Literature Reference Author A.JARRAHPOUR,M.ZAREI
Literature Reference Citation MOLECULES,11,49(2006)
Literature Reference DOI 10.3390/11010049
Molecular Weight 489.457 g/mol
Sample ID 46190
Solvent DMSO-D6